- Title
- Phosphine adsorption and dissociation on the Si(001) surface: an ab initio survey of structures
- Creator
- Warschkow, O.; Wilson, H. F.; Marks, N. A.; Schofield, S. R.; Curson, N. J.; Smith, P. V.; Radny, M. W.; McKenzie, D. R.; Simmons, M. Y.
- Relation
- Physical Review B Vol. 72, no. 12
- Publisher Link
- http://dx.doi.org/10.1103/PhysRevB.72.125328
- Publisher
- American Physical Society
- Resource Type
- journal article
- Date
- 2005
- Description
- We report a comprehensive ab initio survey of possible dissociation intermediates of phosphine (PH3) on the Si(001) surface. We assign three scanning tunneling microscopy (STM) features, commonly observed in room-temperature dosing experiments, to PH2+H, PH+2H, and P+3H species, respectively, on the basis of calculated energetics and STM simulation. These assignments and a time series of STM images which shows these three STM features converting into another, allow us to outline a mechanism for the complete dissociation of phosphine on the Si(001) surface. This mechanism closes an important gap in the understanding of the doping process of semiconductor devices.
- Subject
- scanning-tunneling-microscopy; si(100) surface; wannier functions; quantum computer; ph3; silicon; phosphorus; density; photoemission; desorption
- Identifier
- uon:601
- Identifier
- http://hdl.handle.net/1959.13/24676
- Identifier
- ISSN:1098-0121
- Language
- eng
- Full Text
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